ChemSpider 2D Image | 2-[(3-Methyl-2-thienyl)carbonyl]benzoic acid | C13H10O3S

2-[(3-Methyl-2-thienyl)carbonyl]benzoic acid

  • Molecular FormulaC13H10O3S
  • Average mass246.282 Da
  • Monoisotopic mass246.035065 Da
  • ChemSpider ID34031852

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(3-Methyl-2-thienyl)carbonyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(3-Methyl-2-thienyl)carbonyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[(3-méthyl-2-thiényl)carbonyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(3-methyl-2-thienyl)carbonyl]- [ACD/Index Name]
1270783-35-1 [RN]
2-(3-Methyl-2-thenoyl)benzoic acid
2-(3-Methylthiophene-2-carbonyl)benzoic acid
atoms 17 bonds 18
MFCD07782793

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 432.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 215.5±25.9 °C
Index of Refraction: 1.631
Molar Refractivity: 66.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.55
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 185.8±3.0 cm3

Click to predict properties on the Chemicalize site


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